ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

C9H12N6O4S — CID 80708490

IUPACethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C9H12N6O4S/c1-3-19-8(16)6-4-11-13-7(6)20(17,18)14-9-10-5-12-15(9)2/h4-5H,3H2,1-2H3,(H,11,13)(H,10,12,14)
InChIKeyRNXJLKKNGBTFLK-UHFFFAOYSA-N
MW300.30 g/mol
LogP-0.48
Rot. Bonds5

About ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 80708490) has the molecular formula C9H12N6O4S and a molecular weight of 300.30 g/mol. Its IUPAC name is ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID80708490
Molecular FormulaC9H12N6O4S
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Nameethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C9H12N6O4S/c1-3-19-8(16)6-4-11-13-7(6)20(17,18)14-9-10-5-12-15(9)2/h4-5H,3H2,1-2H3,(H,11,13)(H,10,12,14)
InChIKeyRNXJLKKNGBTFLK-UHFFFAOYSA-N
XLogP-0.48
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713527
ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 103775663
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713502
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 80708490) is ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ncnn1C.
What is the InChIKey of ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is RNXJLKKNGBTFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O4S/c1-3-19-8(16)6-4-11-13-7(6)20(17,18)14-9-10-5-12-15(9)2/h4-5H,3H2,1-2H3,(H,11,13)(H,10,12,14).
What are the key properties of ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 300.30 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 80708490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).